2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H35BO2 — CID 174102018

IUPAC2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C2CCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-15-17-13-11-9-7-5-6-8-10-12-14-17/h15-17H,5-14H2,1-4H3/b16-15+
InChIKeyOUDAGTIEOLRNJT-FOCLMDBBSA-N
MW306.30 g/mol
LogP5.70
Rot. Bonds2

About 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 174102018) has the molecular formula C19H35BO2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID174102018
Molecular FormulaC19H35BO2
Molecular Weight306.30 g/mol
Exact Mass306.27
IUPAC Name2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C2CCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-15-17-13-11-9-7-5-6-8-10-12-14-17/h15-17H,5-14H2,1-4H3/b16-15+
InChIKeyOUDAGTIEOLRNJT-FOCLMDBBSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2-cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12066515
(Z)-2-(2-Cyclopentylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10059394
2-(2-Cyclopentylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11831016
4,4,5,5-tetramethyl-2-[(E)-tridec-1-enyl]-1,3,2-dioxaborolane
CID 15399087
(E)-4,4,5,5-Tetramethyl-2-(non-1-en-1-yl)-1,3,2-dioxaborolane
CID 101353698
4,4,5,5-tetramethyl-2-[(E,3S)-3-methyloct-1-enyl]-1,3,2-dioxaborolane
CID 102273788
2-[(Z)-dec-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10901531
(E)-1-Decene-1-boronic Acid Pinacol Ester
CID 11254127
4,4,5,5-tetramethyl-2-[(E)-3-methylidenenon-1-enyl]-1,3,2-dioxaborolane
CID 12178572
2-[(Z)-2-cyclohexylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416206
4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane
CID 102205713
2-(2,2-Dipropylpent-4-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122366992

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 174102018) is 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C/C2CCCCCCCCCC2)OC1(C)C.
What is the InChIKey of 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OUDAGTIEOLRNJT-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-15-17-13-11-9-7-5-6-8-10-12-14-17/h15-17H,5-14H2,1-4H3/b16-15+.
What are the key properties of 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 306.30 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cycloundecylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 174102018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).